Hot-spots-guided receptor-based pharmacophores (HS-pharm): A knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophores

Journal of Chemical Information and Modeling

Volumn 48, Issue 7, 2008, Pages 1396-1410

  Barillari, Caterina ^a   Marcou, Gilles ^b   Rognan, Didier ^a  

^a CNRS   (France)

^b UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BIOACTIVITY; DIGITAL LIBRARIES; KNOWLEDGE BASED SYSTEMS; LEARNING ALGORITHMS; LIGANDS; MACHINE LEARNING; PHARMACODYNAMICS; PROTEINS;

ADRENERGIC RECEPTORS; BIOLOGICALLY ACTIVE COMPOUNDS; CHEMICAL LIBRARIES; KNOWLEDGE-BASED APPROACH; PHARMACOPHORE MODELS; PROTEIN STRUCTURES; TRAINING MACHINES; VIRTUAL SCREENING;

HYDRAULIC STRUCTURES;

LIGAND; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; PROTEIN CONFORMATION; VALIDATION STUDY;

LIGANDS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEINS;

EID: 49449085235     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800064z     Document Type: Article

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